Found 3 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [342-460]' and Ligand = 'BDBM362642' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362642
((4S)-2-(5-acetyl-2,5- diazabicyclo[2.2.1]hept-2-yl...)Show SMILES CC(=O)N1CC2CC1CN2c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.29,(-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-1,4.17,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)| Show InChI InChI=1S/C26H26N6O3/c1-14-23(15(2)35-29-14)19-7-8-21-24-25(19)34-13-22(20-6-4-5-9-27-20)32(24)26(28-21)31-12-17-10-18(31)11-30(17)16(3)33/h4-9,17-18,22H,10-13H2,1-3H3/t17?,18?,22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362642
((4S)-2-(5-acetyl-2,5- diazabicyclo[2.2.1]hept-2-yl...)Show SMILES CC(=O)N1CC2CC1CN2c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.29,(-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-1,4.17,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)| Show InChI InChI=1S/C26H26N6O3/c1-14-23(15(2)35-29-14)19-7-8-21-24-25(19)34-13-22(20-6-4-5-9-27-20)32(24)26(28-21)31-12-17-10-18(31)11-30(17)16(3)33/h4-9,17-18,22H,10-13H2,1-3H3/t17?,18?,22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362642
((4S)-2-(5-acetyl-2,5- diazabicyclo[2.2.1]hept-2-yl...)Show SMILES CC(=O)N1CC2CC1CN2c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.29,(-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-1,4.17,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)| Show InChI InChI=1S/C26H26N6O3/c1-14-23(15(2)35-29-14)19-7-8-21-24-25(19)34-13-22(20-6-4-5-9-27-20)32(24)26(28-21)31-12-17-10-18(31)11-30(17)16(3)33/h4-9,17-18,22H,10-13H2,1-3H3/t17?,18?,22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US10618910 (2020)
BindingDB Entry DOI: 10.7270/Q2XD14QK |
More data for this
Ligand-Target Pair | |
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